N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C18H22FN5O2 — CID 109325283

IUPACN-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H22FN5O2/c1-13-11-16(17(25)22-15-4-2-3-14(19)12-15)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyDWAWGULGHYOMRF-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.92
Rot. Bonds6

About N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109325283) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109325283
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H22FN5O2/c1-13-11-16(17(25)22-15-4-2-3-14(19)12-15)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyDWAWGULGHYOMRF-UHFFFAOYSA-N
XLogP1.92
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
N-(3-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333161
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109325283) is N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is DWAWGULGHYOMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-13-11-16(17(25)22-15-4-2-3-14(19)12-15)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h2-4,11-12H,5-10H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).